General Information of the Compound
| Compound ID |
CP0472954
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]-(1H-pyrrolo[2,3-b]pyridin-2-yl)methanone
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H24N4O3
|
||||||||||||||||||
| Molecular Weight |
380.448
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc(OCCN2CCN(CC2)C(=O)c2cc3cccnc3[nH]2)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H24N4O3/c1-27-17-4-6-18(7-5-17)28-14-13-24-9-11-25(12-10-24)21(26)19-15-16-3-2-8-22-20(16)23-19/h2-8,15H,9-14H2,1H3,(H,22,23)
Show/Hide
|
||||||||||||||||||
| InChIKey |
KWKXRMCRBPRGNX-UHFFFAOYSA-N
|
||||||||||||||||||
| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
|
||||||||||||||||||
| Click to Show/Hide the External Link(s) of This Compound | |||||||||||||||||||
| PubChem ID | |||||||||||||||||||
| ChEMBL ID | |||||||||||||||||||
Map of Molecular Bioactivity Related to the Compound
|
Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
|
|---|
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT01005, D(2) dopamine receptor
Protein ID: PT00943, D(3) dopamine receptor